Carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone

C₃₈H₇₅ClN₄OP₂Ru+2 — CID 159421006

About Carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone

Carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone (PubChem CID 159421006) has the molecular formula C₃₈H₇₅ClN₄OP₂Ru+2 and a molecular weight of 802.52 g/mol. Its IUPAC name is carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone.

Molecular Properties

• Compound Name: Carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone
• PubChem CID: 159421006
• Molecular Formula: C₃₈H₇₅ClN₄OP₂Ru+2
• Molecular Weight: 802.52 g/mol
• Exact Mass: 802.41
• IUPAC Name: carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone
• SMILES: CC.CC.CNCc1cccc(CP(C(C)(C)C)C(C)(C)C)n1.CNCc1cccc(C[PH+](C(C)(C)C)C(C)(C)C)n1.Cl[Ru+3].[CH-]=O.[CH3-]
• InChI: InChI=1S/2C16H29N2P.2C2H6.CHO.CH3.ClH.Ru/c2*1-15(2,3)19(16(4,5)6)12-14-10-8-9-13(18-14)11-17-7;3*1-2;;;/h2*8-10,17H,11-12H2,1-7H3;2*1-2H3;1H;1H3;1H;/q;;;;2*-1;;+4
• InChIKey: VWLFMIPZJLBECY-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.52
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone?

The IUPAC name of Carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone (CID 159421006) is carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone.

What is the SMILES notation for Carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone?

The canonical SMILES for Carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone is CC.CC.CNCc1cccc(CP(C(C)(C)C)C(C)(C)C)n1.CNCc1cccc(C[PH+](C(C)(C)C)C(C)(C)C)n1.Cl[Ru+3].[CH-]=O.[CH3-].

What is the InChIKey of Carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone?

The InChIKey is VWLFMIPZJLBECY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H29N2P.2C2H6.CHO.CH3.ClH.Ru/c2*1-15(2,3)19(16(4,5)6)12-14-10-8-9-13(18-14)11-17-7;3*1-2;;;/h2*8-10,17H,11-12H2,1-7H3;2*1-2H3;1H;1H3;1H;/q;;;;2*-1;;+4.

What are the key properties of Carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone?

Carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone has a molecular weight of 802.52 g/mol, XLogP of 11.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Carbanide;chlororuthenium(3+);ditert-butyl-[[6-(methylaminomethyl)-2-pyridinyl]methyl]phosphanium;1-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-methylmethanamine;ethane;methanone is sourced from PubChem (CID 159421006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159421006 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.